N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine

C15H20N4 — CID 105182681

IUPACN,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(NC)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-12(2)9-10-14(16-3)15-11-17-19(18-15)13-7-5-4-6-8-13/h4-8,11,14,16H,1,9-10H2,2-3H3
InChIKeyMRACZHIXGMMTMT-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.88
Rot. Bonds6

About N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine

N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine (PubChem CID 105182681) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine
PubChem CID105182681
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(NC)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-12(2)9-10-14(16-3)15-11-17-19(18-15)13-7-5-4-6-8-13/h4-8,11,14,16H,1,9-10H2,2-3H3
InChIKeyMRACZHIXGMMTMT-UHFFFAOYSA-N
XLogP2.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-phenyl-2H-1,2,3-triazol-4-yl)methanamine
CID 599268
N,N-dimethyl-1-(4-(((2-phenyl-2H-1,2,3-triazol-4-yl)methylamino)methyl)phenyl)methanamine
CID 8851244
N-[(1H-1,2,3-triazol-5-yl)methyl]aniline
CID 61318525
N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 9115212
4-Methyl-2-phenyl-2h-1,2,3-triazole
CID 12686648
benzyl[(1H-1,2,3-triazol-5-yl)methyl]amine
CID 61318526
methyl((2-phenyl-2H-1,2,3-triazol-4-yl)methyl)amine hydrochloride
CID 54594671
1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine hydrochloride
CID 71756186
1-(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)ethan-1-amine hydrochloride
CID 138006951
(1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 96053367
1-Phenylamino-1h-[1,2,3]triazole-4-carbothioic acid diethylamide
CID 129828099
2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757376

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine?
The IUPAC name of N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine (CID 105182681) is N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine.
What is the SMILES notation for N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine?
The canonical SMILES for N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine is C=C(C)CCC(NC)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine?
The InChIKey is MRACZHIXGMMTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12(2)9-10-14(16-3)15-11-17-19(18-15)13-7-5-4-6-8-13/h4-8,11,14,16H,1,9-10H2,2-3H3.
What are the key properties of N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine?
N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine is sourced from PubChem (CID 105182681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).